Glycoside
GD010854
Name:
NoneFormula:
C30H42O9Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@H]3C(=O)O[C@]43CC[C@@H]4[C@H](C)OC(=O)[C@]43C)C2)O[C@H](C)[C@H]1OC(C)=OAglycone:
CC1OC(=O)C2(C)C1CCC21OC(=O)C2C1CC=C1CC(O)CCC12CSugarmoiety:
COC1CC(O)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.66 | Num_heavy_atoms: | 39 |
| TPSA: | 106.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD08330
Formula: C21H28O5
Smiles:
CC1OC(=O)C2(C)C1CCC21OC(=O)C2C1CC=C1CC(O)CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
